Compound Summary
Compound Information
67469-78-7
Compound Name: | 67469-78-7 |
Compound CID: | 104920 |
Synonyms: | 67469-78-7 Vanoxerine dihydrochloride GBR 12909 dihydrochloride Vanoxerine hydrochloride GBR-12909 dihydrochloride More... |
Iupac Name: | 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride |
InChI: | InChI=1S/C28H32F2N2O.2ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;;/h1-3,5-6,8-15,28H,4,7,16-22H2;2*1H |
InChIKey: | MIBSKSYCRFWIRU-UHFFFAOYSA-N |
Canonical Smiles: | C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl |
Isomeric Smiles: | C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl |
Molecular Weight: | 523.5 |
Molecular Formula: | C28H34Cl2F2N2O |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
67469-78-7
Molecular Weight: | 523.5 |
Molecular Formula: | C28H34Cl2F2N2O |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 35 |
Complexity: | 498 |
Synonyms
67469-78-7
| 67469-78-7 | 67469-78-7 |
|---|---|
67469-78-7 |
Vanoxerine dihydrochloride |
GBR 12909 dihydrochloride |
Vanoxerine hydrochloride |
GBR-12909 dihydrochloride |
Vanoxeamine |
GBR-12909 |
UNII-MWO1IP03EV |
1-(2-bis(4-Fluorophenyl)methoxyethyl)-4-(3-phenylpropyl)piperazine dihydrochloride |
1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine dihydrochloride |
MWO1IP03EV |
Vanoxerine dihydrochloride(GBR12909) |
GBR12909 dihydrochloride |
1-{2-bis(4-fluorophenyl)methoxyethyl}-4-(3-phenylpropyl)piperazine dihydrochloride |
CHEBI:64086 |
MFCD00055193 |
NCGC00015300-05 |
67469-78-7 (HCl) |
DSSTox_CID_22570 |
DSSTox_RID_80049 |
DSSTox_GSID_42570 |
CHEMBL543876 |
1-2-bis(4-Fluorophenyl)methoxyethyl-4-3-phenylpropylpiperazine dihydrochloride |
1-2-Bis-(4-fluorophenyl)methoxyethyl-4-(3-phenylpropyl)piperazine dihydrochloride |
SR-01000075379 |
CAS-67469-78-7 |
I 893 |
I-893 |
Prestwick_664 |
I893 dihydrochloride |
Vanoxerinedihydrochloride |
Vanoxerine(dihydrochloride) |
1-(2 (Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine di-hcl |
cc-298 |
SCHEMBL725103 |
C28H32F2N2O.2HCl |
DTXSID1042570 |
HMS1569M13 |
Tox21_110125 |
Tox21_500446 |
s5796 |
VANOXERINE 2HCL(GBR12909) |
AKOS024458037 |
Tox21_110125_1 |
CCG-220386 |
CCG-221750 |
LP00446 |
Piperazine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)-, dihydrochloride |
NCGC00015300-10 |
NCGC00093862-01 |
NCGC00261131-01 |
AS-62613 |
AT-37030 |
D-052 |
EU-0100446 |
FT-0722032 |
A25632 |
469G787 |
J-502921 |
SR-01000075379-1 |
SR-01000075379-3 |
SR-01000075379-6 |
GBR 12909 dihydrochloride, solid, >=98% (HPLC) |
Q23054713 |
1-(2-(Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine 2HCl |
1-(2,2-bis(4-fluorobenzyloxy)ethyl)-4-(1-phenylpropan-2-yl)piperazine Dihydrochloride |
1-2-bis(4-fluorophenyl)methoxyethyl-4-(3-phenylpropyl)piperazine;dihydrochloride |
1-{2-bis(4-fluorophenyl)methoxyethyl}-4-(3-phenylpropyl)piperazinediium dichloride |
Experimental Data
67469-78-7
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 13 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
67469-78-7
Statistics Data
67469-78-7
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 13 | 1 | 1 |
Statistics Data Visualization
67469-78-7
